Computational Chemistry
Computational chemistry is a branch of chemistry that uses principles of computer science to assist in solving chemical problems. It uses the results of theoretical chemistry, incorporated into efficient computer programs, to calculate the structures and properties of molecules and solids. Its necessity arises from the well-known fact that apart from relatively recent results concerning the hydrogen molecular ion (see references therein for more details), the quantum n-body problem cannot be solved analytically, much less in closed form. While its results normally complement the information obtained by chemical experiments, it can in some cases predict hitherto unobserved chemical phenomena. It is widely used in the design of new drugs and materials.
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Famous quotes containing the word chemistry:
“Science with its retorts would have put me to sleep; it was the opportunity to be ignorant that I improved. It suggested to me that there was something to be seen if one had eyes. It made a believer of me more than before. I believed that the woods were not tenantless, but choke-full of honest spirits as good as myself any day,—not an empty chamber, in which chemistry was left to work alone, but an inhabited house,—and for a few moments I enjoyed fellowship with them.”
—Henry David Thoreau (1817–1862)